| CAS Number | 676579-72-9 |
| Catalog Number | AG01BHBV |
| Chemical Name | 4-(4-Chlorophenyl)piperazine-1-carboxamide |
| IUPAC Name | 4-(4-chlorophenyl)piperazine-1-carboxamide |
| InChI | InChI=1S/C11H14ClN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16) |
| InChI Key | APBDKYHKEZOVSE-UHFFFAOYSA-N |
| MDL Number | MFCD04153414 |
| Molecular Formula | C11H14ClN3O |
| Molecular Weight | 239.7014 |
| SMILES | NC(N1CCN(C2=CC=C(Cl)C=C2)CC1)=O |
| Synonyms | 4-(4-chlorophenyl)piperazine-1-carboxamide,
676579-72-9,
AC1LGU36,
SCHEMBL3174172,
ZINC386751,
BC4177761,
EN300-195011,
CID851854,
ZINC00386751,
N-(4-chlorophenyl)piperazine-1-carboxamide,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.703g/mol |
| Monoisotopic Mass | 239.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number